4I54

Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	298
Detector technology	CCD
Collection date	2012-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	65.324, 68.775, 94.443
Unit cell angles	90.00, 90.89, 90.00

Refinement procedure

Resolution	33.628 - 2.500
R-factor	0.1992
Rwork	0.196
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.222
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.432	94.430	2.310
High resolution limit [Å]	2.205	6.970	2.205
Number of reflections	40186
Completeness [%]	94.9	97.7	74.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12% PEG 8000, 5% ISO-PROPANOL, 0.1M HEPES 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K